tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)

C34H54O2Si2Zr — CID 20704218

IUPACtert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)
SMILES[CH2-]C1=C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC12.[CH2-]C1=C2C=CC=CC2C=C1O[Si](C)(C)C(C)(C)C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C16H25OSi.C16H23OSi.2CH3.Zr/c2*1-12-14-10-8-7-9-13(14)11-15(12)17-18(5,6)16(2,3)4;;;/h7-10,13-14H,1,11H2,2-6H3;7-11,13H,1H2,2-6H3;2*1H3;/q4*-1;+4
InChIKeyPELCFYJHRGSHEE-UHFFFAOYSA-N
MW642.20 g/mol
LogP10.54
Rot. Bonds4

About tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)

tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+) (PubChem CID 20704218) has the molecular formula C34H54O2Si2Zr and a molecular weight of 642.20 g/mol. Its IUPAC name is tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+).

Molecular Properties

Compound Nametert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)
PubChem CID20704218
Molecular FormulaC34H54O2Si2Zr
Molecular Weight642.20 g/mol
Exact Mass640.27
IUPAC Nametert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)
SMILES[CH2-]C1=C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC12.[CH2-]C1=C2C=CC=CC2C=C1O[Si](C)(C)C(C)(C)C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C16H25OSi.C16H23OSi.2CH3.Zr/c2*1-12-14-10-8-7-9-13(14)11-15(12)17-18(5,6)16(2,3)4;;;/h7-10,13-14H,1,11H2,2-6H3;7-11,13H,1H2,2-6H3;2*1H3;/q4*-1;+4
InChIKeyPELCFYJHRGSHEE-UHFFFAOYSA-N
XLogP10.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.20
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)?
The IUPAC name of tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+) (CID 20704218) is tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+).
What is the SMILES notation for tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)?
The canonical SMILES for tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+) is [CH2-]C1=C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC12.[CH2-]C1=C2C=CC=CC2C=C1O[Si](C)(C)C(C)(C)C.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)?
The InChIKey is PELCFYJHRGSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25OSi.C16H23OSi.2CH3.Zr/c2*1-12-14-10-8-7-9-13(14)11-15(12)17-18(5,6)16(2,3)4;;;/h7-10,13-14H,1,11H2,2-6H3;7-11,13H,1H2,2-6H3;2*1H3;/q4*-1;+4.
What are the key properties of tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+)?
tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+) has a molecular weight of 642.20 g/mol, XLogP of 10.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-methanidyl-3a,7a-dihydro-1H-inden-2-yl)oxy]-dimethylsilane;tert-butyl-[(1-methanidyl-3aH-inden-2-yl)oxy]-dimethylsilane;carbanide;zirconium(4+) is sourced from PubChem (CID 20704218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).